5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide

C64H69F7N20O7S3 — CID 157280014

About 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide

5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 157280014) has the molecular formula C64H69F7N20O7S3 and a molecular weight of 1459.58 g/mol. Its IUPAC name is 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 157280014
• Molecular Formula: C64H69F7N20O7S3
• Molecular Weight: 1459.58 g/mol
• Exact Mass: 1458.47
• IUPAC Name: 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: CC(=O)Nc1ccc(CCCCc2nnc(C(=O)NCc3cc(C(C)(F)F)ccn3)s2)nn1.CC(=O)Nc1ccc(CCCCc2nnc(C(=O)NCc3cc(OC(C)(F)F)ccc3F)s2)nn1.CC(=O)Nc1ccc(CCCCc2nnc(C(=O)NCc3cncc(C(C)(F)F)c3)s2)nn1
• InChI: InChI=1S/C22H23F3N6O3S.2C21H23F2N7O2S/c1-13(32)27-18-10-7-15(28-29-18)5-3-4-6-19-30-31-21(35-19)20(33)26-12-14-11-16(8-9-17(14)23)34-22(2,24)25;1-13(31)26-17-8-7-16(27-28-17)5-3-4-6-18-29-30-20(33-18)19(32)25-11-14-9-15(12-24-10-14)21(2,22)23;1-13(31)26-17-8-7-15(27-28-17)5-3-4-6-18-29-30-20(33-18)19(32)25-12-16-11-14(9-10-24-16)21(2,22)23/h7-11H,3-6,12H2,1-2H3,(H,26,33)(H,27,29,32);7-10,12H,3-6,11H2,1-2H3,(H,25,32)(H,26,28,31);7-11H,3-6,12H2,1-2H3,(H,25,32)(H,26,28,31)
• InChIKey: AZOBCUJQKHUTDJ-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 364.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1459.58
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide (CID 157280014) is 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide is CC(=O)Nc1ccc(CCCCc2nnc(C(=O)NCc3cc(C(C)(F)F)ccn3)s2)nn1.CC(=O)Nc1ccc(CCCCc2nnc(C(=O)NCc3cc(OC(C)(F)F)ccc3F)s2)nn1.CC(=O)Nc1ccc(CCCCc2nnc(C(=O)NCc3cncc(C(C)(F)F)c3)s2)nn1.

What is the InChIKey of 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is AZOBCUJQKHUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O3S.2C21H23F2N7O2S/c1-13(32)27-18-10-7-15(28-29-18)5-3-4-6-19-30-31-21(35-19)20(33)26-12-14-11-16(8-9-17(14)23)34-22(2,24)25;1-13(31)26-17-8-7-16(27-28-17)5-3-4-6-18-29-30-20(33-18)19(32)25-11-14-9-15(12-24-10-14)21(2,22)23;1-13(31)26-17-8-7-15(27-28-17)5-3-4-6-18-29-30-20(33-18)19(32)25-12-16-11-14(9-10-24-16)21(2,22)23/h7-11H,3-6,12H2,1-2H3,(H,26,33)(H,27,29,32);7-10,12H,3-6,11H2,1-2H3,(H,25,32)(H,26,28,31);7-11H,3-6,12H2,1-2H3,(H,25,32)(H,26,28,31).

What are the key properties of 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide?

5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 1459.58 g/mol, XLogP of 10.49, 31 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[4-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide;5-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 157280014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).